The role of oxidizing conditions in the dispersion of supported platinum nanoparticles explored by ab initio modeling

Achieving fine control over the dispersion of supported platinum nanoparticles (Pt) is a promising avenue to enhance their catalytic activity and selectivity. Experimental observations suggest that exposing ceria-supported Pt nanoparticles to O₂ at 500 °C promote their dispersion into smaller particles and eventually single atoms. In the associated paper we have combined several approaches and types of models in a consistent atomistic framework to evaluate the relative stability of ceria-supported Pt as a function of the degree of oxidation of Pt and of the particle size, ranging from single atoms to nanoparticles of 1.5 nm of diameter.

Identifier
Source https://archive.materialscloud.org/record/2024.17
Metadata Access https://archive.materialscloud.org/xml?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:2063
Provenance
Creator Salcedo, Agustin; Alexandrova, Anastassia N.; Loffreda, David; Michel, Carine
Publisher Materials Cloud
Publication Year 2024
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type Dataset
Discipline Materials Science and Engineering